6-(3,4,5-trimethoxyphenyl)carbonyl-1,3-benzodioxole-5-carboxylic acid

Systemtic Name: 6-(3,4,5-trimethoxyphenyl)carbonyl-1,3-benzodioxole-5-carboxylic acid Openeye Name: 6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carboxylic acid CAS Name: 6-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole-5-carboxylic acid IUPAC Name: 6-(3,4,5-trimethoxybenzoyl)-1,3-benzodioxole-5-carboxylic acid Traditional Name: 6-(3,4,5-trimethoxybenzoyl)-piperonylic acid Formula: C18H16O8 MolecularWeight: 360.31484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2C(=O)O)OCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2C(=O)O)OCO3

InChI

InChI=1S/C18H16O8/c1-22-14-4-9(5-15(23-2)17(14)24-3)16(19)10-6-12-13(26-8-25-12)7-11(10)18(20)21/h4-7H,8H2,1-3H3,(H,20,21)